1-[4-[3-(2-chlorophenyl)propanoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one

C23H27ClN2O2 — CID 55564526

IUPAC1-[4-[3-(2-chlorophenyl)propanoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
SMILESCC(C)(C(=O)N1CCN(C(=O)CCc2ccccc2Cl)CC1)c1ccccc1
InChIInChI=1S/C23H27ClN2O2/c1-23(2,19-9-4-3-5-10-19)22(28)26-16-14-25(15-17-26)21(27)13-12-18-8-6-7-11-20(18)24/h3-11H,12-17H2,1-2H3
InChIKeyGDTMBTOCSWPKQO-UHFFFAOYSA-N
MW398.93 g/mol
LogP3.92
Rot. Bonds5

About 1-[4-[3-(2-chlorophenyl)propanoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one

1-[4-[3-(2-chlorophenyl)propanoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one (PubChem CID 55564526) has the molecular formula C23H27ClN2O2 and a molecular weight of 398.93 g/mol. Its IUPAC name is 1-[4-[3-(2-chlorophenyl)propanoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-[3-(2-chlorophenyl)propanoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
PubChem CID55564526
Molecular FormulaC23H27ClN2O2
Molecular Weight398.93 g/mol
Exact Mass398.18
IUPAC Name1-[4-[3-(2-chlorophenyl)propanoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
SMILESCC(C)(C(=O)N1CCN(C(=O)CCc2ccccc2Cl)CC1)c1ccccc1
InChIInChI=1S/C23H27ClN2O2/c1-23(2,19-9-4-3-5-10-19)22(28)26-16-14-25(15-17-26)21(27)13-12-18-8-6-7-11-20(18)24/h3-11H,12-17H2,1-2H3
InChIKeyGDTMBTOCSWPKQO-UHFFFAOYSA-N
XLogP3.92
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.93
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chlorophenyl)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one
CID 51252212
3-(2-chlorophenyl)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propan-1-one
CID 94719688
1-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 55564611
3-(2-chlorophenyl)-1-[4-(3-hydroxy-3-methylbutyl)-1,4-diazepan-1-yl]propan-1-one
CID 137341785
methyl 1-[3-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate
CID 43404780
3-(2-chlorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 78775420
3-(2-chlorophenyl)-1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one
CID 95759398
3-(2-chlorophenyl)-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 47067210
1-[4-[2-(2-methoxyethoxy)acetyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 56805511
2-methyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 55496523
2-methyl-2-phenyl-1-[4-[3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperazin-1-yl]propan-1-one
CID 38453977
1-[3-(2-chlorophenyl)propanoyl]-N-phenylpiperidine-4-carboxamide
CID 34081968

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(2-chlorophenyl)propanoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one?
The IUPAC name of 1-[4-[3-(2-chlorophenyl)propanoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one (CID 55564526) is 1-[4-[3-(2-chlorophenyl)propanoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one.
What is the SMILES notation for 1-[4-[3-(2-chlorophenyl)propanoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one?
The canonical SMILES for 1-[4-[3-(2-chlorophenyl)propanoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one is CC(C)(C(=O)N1CCN(C(=O)CCc2ccccc2Cl)CC1)c1ccccc1.
What is the InChIKey of 1-[4-[3-(2-chlorophenyl)propanoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one?
The InChIKey is GDTMBTOCSWPKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O2/c1-23(2,19-9-4-3-5-10-19)22(28)26-16-14-25(15-17-26)21(27)13-12-18-8-6-7-11-20(18)24/h3-11H,12-17H2,1-2H3.
What are the key properties of 1-[4-[3-(2-chlorophenyl)propanoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one?
1-[4-[3-(2-chlorophenyl)propanoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one has a molecular weight of 398.93 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(2-chlorophenyl)propanoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one is sourced from PubChem (CID 55564526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).